%chk=000046078.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046078

0 1
 O    2.591900     -7.2400004E-02  0.7931000    
 O    2.408500       1.691200     -0.6666000    
 N   0.6893000       1.118400      0.7819000    
 C   -1.176000       1.689900     -0.7363000    
 C  -0.2571000       2.140000      0.3968000    
 C   -2.017300      0.4916000     -0.3711000    
 C    3.529900     -0.7586000     -4.3600000E-02
 C   -1.530100     -0.7826000     -0.6181000    
 C   -3.263200      0.6859000      0.2050000    
 C    4.187300      -1.875600      0.7525000    
 C    2.809400      -1.288100      -1.274300    
 C    1.940100      0.9818000      0.2176000    
 C   -2.308100      -1.890100     -0.2801000    
 C   -4.041100     -0.4216000      0.5427000    
 C   -3.563500      -1.709700      0.3005000    
 H   -1.831400       2.521800      -1.024200    
 H  -0.5831000       1.456600      -1.630500    
 H   0.2947000       3.034500      8.7899998E-02
 H  -0.8371000       2.392700       1.291100    
 H    4.313500     -5.2999999E-02 -0.3465000    
 H   0.4184000      0.4609000       1.506900    
 H  -0.5558000     -0.9351000      -1.073000    
 H   -3.642900       1.684900      0.3996000    
 H    4.928200      -2.411800      0.1519000    
 H    4.683800      -1.469300       1.640200    
 H    3.439700      -2.591700       1.110900    
 H    3.479700      -1.904100      -1.882800    
 H    2.431900     -0.4876000      -1.917100    
 H    1.945800      -1.898700     -0.9878000    
 H   -1.936300      -2.892900     -0.4696000    
 H   -5.018400     -0.2812000      0.9951000    
 H   -4.169200      -2.572000      0.5637000    


%chk=000046078-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046078

0 1
O 2.440881 -0.523851 0.419341
O 2.470862 1.607793 -0.608314
N 0.588648 0.785123 0.538469
C -1.377073 1.645678 -0.795547
C -0.281469 1.935176 0.274760
C -2.342066 0.551468 -0.365333
C 3.846917 -0.769767 -0.049368
C -2.106685 -0.805702 -0.710181
C -3.474439 0.857384 0.435354
C 4.430447 -1.778282 0.943686
C 3.814944 -1.272039 -1.500403
C 1.875310 0.713271 0.051344
C -2.975145 -1.829032 -0.264538
C -4.345616 -0.161623 0.881556
C -4.097308 -1.510522 0.534534
H -1.924535 2.591483 -0.973395
H -0.871946 1.373537 -1.740438
H 0.367589 2.756478 -0.074289
H -0.763552 2.250621 1.219778
H 4.379582 0.198280 0.000290
H 0.218629 -0.032623 1.025108
H -1.245002 -1.058235 -1.340171
H -3.678123 1.902253 0.702880
H 5.480979 -2.000391 0.682243
H 4.401790 -1.377606 1.971326
H 3.858571 -2.722927 0.921116
H 4.841672 -1.486064 -1.850673
H 3.377469 -0.507648 -2.164411
H 3.221107 -2.200706 -1.575302
H -2.779411 -2.870481 -0.544423
H -5.218098 0.094764 1.493413
H -4.773427 -2.301712 0.877387


